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Details

Stereochemistry MIXED
Molecular Formula C51H99N2O6.CH3O4S
Molecular Weight 947.439
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of N-(2-(BIS(2-(OLEOYLOXY)PROPYL)AMINO)ETHYL)-2-HYDROXY-N-(2-HYDROXYPROPYL)-N-METHYLPROPAN-1-AMINIUM METHYL SULFATE

SMILES

COS([O-])(=O)=O.CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)CN(CC[N+](C)(CC(C)O)CC(C)O)CC(C)OC(=O)CCCCCCC\C=C/CCCCCCCC

InChI

InChIKey=ZEGHAPRVZCYQFL-PBAYCENZSA-M
InChI=1S/C51H99N2O6.CH4O4S/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-50(56)58-48(5)42-52(40-41-53(7,44-46(3)54)45-47(4)55)43-49(6)59-51(57)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2;1-5-6(2,3)4/h22-25,46-49,54-55H,8-21,26-45H2,1-7H3;1H3,(H,2,3,4)/q+1;/p-1/b24-22-,25-23-;

HIDE SMILES / InChI

Molecular Formula C51H99N2O6
Molecular Weight 836.3416
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 2
Optical Activity UNSPECIFIED

Molecular Formula CH3O4S
Molecular Weight 111.097
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:59:35 GMT 2023
Edited
by admin
on Sat Dec 16 09:59:35 GMT 2023
Record UNII
8Z15728565
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(2-(BIS(2-(OLEOYLOXY)PROPYL)AMINO)ETHYL)-2-HYDROXY-N-(2-HYDROXYPROPYL)-N-METHYLPROPAN-1-AMINIUM METHYL SULFATE
Common Name English
Code System Code Type Description
PUBCHEM
139032986
Created by admin on Sat Dec 16 09:59:35 GMT 2023 , Edited by admin on Sat Dec 16 09:59:35 GMT 2023
PRIMARY
FDA UNII
8Z15728565
Created by admin on Sat Dec 16 09:59:35 GMT 2023 , Edited by admin on Sat Dec 16 09:59:35 GMT 2023
PRIMARY